(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C18H20O2 — CID 10563844

IUPAC(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCOc1ccc([C@H]2CCCc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H20O2/c1-20-15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)18(17)19/h2-3,5,7,9-12,17-19H,4,6,8H2,1H3/t17-,18-/m1/s1
InChIKeyCRFNJRLWQDVGRK-QZTJIDSGSA-N
MW268.36 g/mol
LogP3.85
Rot. Bonds2

About (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 10563844) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID10563844
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCOc1ccc([C@H]2CCCc3ccccc3[C@H]2O)cc1
InChIInChI=1S/C18H20O2/c1-20-15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)18(17)19/h2-3,5,7,9-12,17-19H,4,6,8H2,1H3/t17-,18-/m1/s1
InChIKeyCRFNJRLWQDVGRK-QZTJIDSGSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
(1S,2R)-2-bromo-1-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalene
CID 11688277
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
(1S,2R)-2-(4-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 125482572
3-[(1S,2S)-2-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,1-diphenylurea
CID 22853553
1-(4-methoxyphenyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)thiourea
CID 19652714
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
4-(4-methoxyphenyl)-2-phenyl-3,4,4a,5,6,10b-hexahydro-2H-benzo[h]thiochromene
CID 12785396
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
4-(4-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 141294884
1-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 54031428

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 10563844) is (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is COc1ccc([C@H]2CCCc3ccccc3[C@H]2O)cc1.
What is the InChIKey of (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is CRFNJRLWQDVGRK-QZTJIDSGSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-15-11-9-14(10-12-15)17-8-4-6-13-5-2-3-7-16(13)18(17)19/h2-3,5,7,9-12,17-19H,4,6,8H2,1H3/t17-,18-/m1/s1.
What are the key properties of (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
(5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 268.36 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-6-(4-methoxyphenyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 10563844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).